SCHEMBL3489385

SCHEMBL3489385

CCCCCn1nc(C)c(Br)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.46
PGR P06401 3/20 0.45
NR3C2 P08235 3/20 0.45
AR P10275 1/20 0.45
TLR8 Q9NR97 1/20 0.42
CNR1 P21554 1/20 0.41
RIPK3 Q9Y572 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC34A1 Q06495 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3489968 0.96 NR3C2 (0.48) SMPD1PGRNR3C2ARTLR8
SCHEMBL3488750 0.90 PGR (0.47) PGRNR3C2ARALDH1A1SLC34A1
SCHEMBL13436038 0.89 SMPD1 (0.41) SMPD1PGRNR3C2ARTLR8
SCHEMBL3487986 0.89 NR3C2 (0.39) SMPD1PGRNR3C2ARALDH1A1
SCHEMBL3488293 0.87 NR3C2 (0.39) SMPD1PGRNR3C2ARALDH1A1
SCHEMBL3488225 0.86 NR3C2 (0.49) SMPD1PGRNR3C2ARRIPK3
SCHEMBL3488661 0.85 NR3C2 (0.48) SMPD1PGRNR3C2ARALDH1A1
SCHEMBL3488809 0.84 ALDH1A1 (0.39) PGRNR3C2ARALDH1A1SLC34A1
SCHEMBL3489611 0.84 MAPT (0.52) PGRNR3C2ALDH1A1SLC34A1MAPT
SCHEMBL3487832 0.84 NR3C2 (0.51) PGRNR3C2ARALDH1A1SLC34A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 SMPD1 2824/4885PGR 107/4885NR3C2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.